2-fluoro-4-hydroxybenzonitrile;5-fluoropyridin-3-ol

C12H8F2N2O2 — CID 175017807

IUPAC2-fluoro-4-hydroxybenzonitrile;5-fluoropyridin-3-ol
SMILESN#Cc1ccc(O)cc1F.Oc1cncc(F)c1
InChIInChI=1S/C7H4FNO.C5H4FNO/c8-7-3-6(10)2-1-5(7)4-9;6-4-1-5(8)3-7-2-4/h1-3,10H;1-3,8H
InChIKeyKQWZRGFWEUUERO-UHFFFAOYSA-N
MW250.20 g/mol
LogP2.33
Rot. Bonds

About 2-fluoro-4-hydroxybenzonitrile;5-fluoropyridin-3-ol

2-fluoro-4-hydroxybenzonitrile;5-fluoropyridin-3-ol (PubChem CID 175017807) has the molecular formula C12H8F2N2O2 and a molecular weight of 250.20 g/mol. Its IUPAC name is 2-fluoro-4-hydroxybenzonitrile;5-fluoropyridin-3-ol.

Molecular Properties

Compound Name2-fluoro-4-hydroxybenzonitrile;5-fluoropyridin-3-ol
PubChem CID175017807
Molecular FormulaC12H8F2N2O2
Molecular Weight250.20 g/mol
Exact Mass250.06
IUPAC Name2-fluoro-4-hydroxybenzonitrile;5-fluoropyridin-3-ol
SMILESN#Cc1ccc(O)cc1F.Oc1cncc(F)c1
InChIInChI=1S/C7H4FNO.C5H4FNO/c8-7-3-6(10)2-1-5(7)4-9;6-4-1-5(8)3-7-2-4/h1-3,10H;1-3,8H
InChIKeyKQWZRGFWEUUERO-UHFFFAOYSA-N
XLogP2.33
TPSA77.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxybenzonitrile;5-fluoropyridin-3-ol?
The IUPAC name of 2-fluoro-4-hydroxybenzonitrile;5-fluoropyridin-3-ol (CID 175017807) is 2-fluoro-4-hydroxybenzonitrile;5-fluoropyridin-3-ol.
What is the SMILES notation for 2-fluoro-4-hydroxybenzonitrile;5-fluoropyridin-3-ol?
The canonical SMILES for 2-fluoro-4-hydroxybenzonitrile;5-fluoropyridin-3-ol is N#Cc1ccc(O)cc1F.Oc1cncc(F)c1.
What is the InChIKey of 2-fluoro-4-hydroxybenzonitrile;5-fluoropyridin-3-ol?
The InChIKey is KQWZRGFWEUUERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO.C5H4FNO/c8-7-3-6(10)2-1-5(7)4-9;6-4-1-5(8)3-7-2-4/h1-3,10H;1-3,8H.
What are the key properties of 2-fluoro-4-hydroxybenzonitrile;5-fluoropyridin-3-ol?
2-fluoro-4-hydroxybenzonitrile;5-fluoropyridin-3-ol has a molecular weight of 250.20 g/mol, XLogP of 2.33, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxybenzonitrile;5-fluoropyridin-3-ol is sourced from PubChem (CID 175017807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).